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Title: Materials Data on LaMg6Si by Materials Project

Abstract

Mg6LaSi crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are four inequivalent Mg sites. In the first Mg site, Mg is bonded in a 1-coordinate geometry to four Mg and one Si atom. There are two shorter (3.03 Å) and two longer (3.06 Å) Mg–Mg bond lengths. The Mg–Si bond length is 2.94 Å. In the second Mg site, Mg is bonded in a 2-coordinate geometry to six Mg, two equivalent La, and two equivalent Si atoms. There are a spread of Mg–Mg bond distances ranging from 2.94–3.21 Å. Both Mg–La bond lengths are 3.32 Å. Both Mg–Si bond lengths are 2.95 Å. In the third Mg site, Mg is bonded in a 10-coordinate geometry to eight Mg and two equivalent La atoms. Both Mg–Mg bond lengths are 3.13 Å. Both Mg–La bond lengths are 3.30 Å. In the fourth Mg site, Mg is bonded in a 2-coordinate geometry to four Mg and two equivalent Si atoms. Both Mg–Si bond lengths are 3.23 Å. La is bonded in a 2-coordinate geometry to six Mg and two equivalent Si atoms. Both La–Si bond lengths are 3.10 Å. Si is bonded in a 10-coordinate geometry to eight Mgmore » and two equivalent La atoms.« less

Authors:
Publication Date:
Other Number(s):
mp-1017497
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Research Org.:
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
Collaborations:
MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; LaMg6Si; La-Mg-Si
OSTI Identifier:
1652757
DOI:
https://doi.org/10.17188/1652757

Citation Formats

The Materials Project. Materials Data on LaMg6Si by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1652757.
The Materials Project. Materials Data on LaMg6Si by Materials Project. United States. doi:https://doi.org/10.17188/1652757
The Materials Project. 2020. "Materials Data on LaMg6Si by Materials Project". United States. doi:https://doi.org/10.17188/1652757. https://www.osti.gov/servlets/purl/1652757. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1652757,
title = {Materials Data on LaMg6Si by Materials Project},
author = {The Materials Project},
abstractNote = {Mg6LaSi crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are four inequivalent Mg sites. In the first Mg site, Mg is bonded in a 1-coordinate geometry to four Mg and one Si atom. There are two shorter (3.03 Å) and two longer (3.06 Å) Mg–Mg bond lengths. The Mg–Si bond length is 2.94 Å. In the second Mg site, Mg is bonded in a 2-coordinate geometry to six Mg, two equivalent La, and two equivalent Si atoms. There are a spread of Mg–Mg bond distances ranging from 2.94–3.21 Å. Both Mg–La bond lengths are 3.32 Å. Both Mg–Si bond lengths are 2.95 Å. In the third Mg site, Mg is bonded in a 10-coordinate geometry to eight Mg and two equivalent La atoms. Both Mg–Mg bond lengths are 3.13 Å. Both Mg–La bond lengths are 3.30 Å. In the fourth Mg site, Mg is bonded in a 2-coordinate geometry to four Mg and two equivalent Si atoms. Both Mg–Si bond lengths are 3.23 Å. La is bonded in a 2-coordinate geometry to six Mg and two equivalent Si atoms. Both La–Si bond lengths are 3.10 Å. Si is bonded in a 10-coordinate geometry to eight Mg and two equivalent La atoms.},
doi = {10.17188/1652757},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}